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CHEBI:222043 - Tirandamycin B
| Formula | C22H27NO8 |
| Net Charge | 0 |
| Average Mass | 433.457 |
| Monoisotopic Mass | 433.17367 |
| SMILES | CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32CO)[C@@H]1C |
| InChI | InChI=1S/C22H27NO8/c1-10(5-6-13(25)15-14(26)8-23-20(15)28)7-11(2)17-12(3)18-16(27)19-22(9-24,31-19)21(4,29-17)30-18/h5-7,11-12,17-19,24-25H,8-9H2,1-4H3,(H,23,28)/b6-5+,10-7+,15-13+/t11-,12-,17-,18+,19+,21+,22+/m1/s1 |
| InChIKey | LYJKREGDQDJIDC-SMXDXXKISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (962473) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tirandamycin B (CHEBI:222043) is a oxacycle (CHEBI:38104) |
| IUPAC Name |
|---|
| (3E)-3-[(2E,4E,6R)-1-hydroxy-6-[(1S,2S,4R,6S,7R,8R)-2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione |
| Manual Xrefs | Databases |
|---|---|
| 26231492 | ChemSpider |